<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
</head>
<body dir="ltr">
<div id="divtagdefaultwrapper" style="font-size:12pt;color:#000000;font-family:Calibri,Helvetica,sans-serif;" dir="ltr">
<p>Looks like you haven't changed <span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;">$WIENROOT in your .bashrc (or whatever
shell you are using).</span></p>
<p>You need to change the $WIENROOT to the path of the new directory where you have installed</p>
<p>Wien2k17.1.</p>
<p><br>
</p>
<p><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;"> <span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;"> </span><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;">$WIENROOT
= </span>/cluster/home/lokanath/lib/w217</span><br>
</p>
<br>
<div><br>
</div>
<div>Fhokrul<br>
<br>
<br>
<br>
<div style="color: rgb(0, 0, 0);">
<hr tabindex="-1" style="display:inline-block; width:98%">
<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of lokanath patra <lokanath.patra007@gmail.com><br>
<b>Sent:</b> Thursday, October 12, 2017 7:27 AM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> [Wien] Problem with Wien2k 17 installation</font>
<div> </div>
</div>
<div>
<div dir="ltr">Dear all,
<div><br>
</div>
<div>I have installed Wien2k 17. To start with some test calculation, I performed spin polarized calculations with Ni. Everything running fine. But when I checked the case.scf file, it's still showing the old version like following.</div>
<div><b><br>
</b></div>
<div>
<div><b>:LABEL1: Calculations in /cluster/home/lokanath/WIEN2k/Ni</b></div>
<div><b>:LABEL2: on login-0-1.local at Mon Oct 2 20:22:29 CEST 2017</b></div>
<div><b>:LABEL3: using WIEN2k_14.2 (Release 15/10/2014) in /cluster/home/lokanath/lib/w215</b></div>
<div><b>:LABEL4: using the command: runsp_lapw -so -ec 0.0001 -NI</b></div>
<div><br>
</div>
<div>I have installed Wien2k in /cluster/home/lokanath/lib/w217. </div>
<div><br>
</div>
<div>What might be the error??</div>
<div><br>
</div>
<div>Thank you and Regards,</div>
<div>Lokanath</div>
<div><br>
</div>
-- <br>
<div class="gmail_signature">
<div dir="ltr">Lokanath Patra
<div>Ph.D Scholar</div>
<div>Dept. of Physics</div>
<div>School of Applied and Basic Sciences</div>
<div>Central University of Tamil Nadu</div>
<div>Thiruvarur</div>
<div>Tamil Nadu - 610101</div>
<div>Ph no - +91-8675834507</div>
</div>
</div>
</div>
</div>
<div id="DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2"><br>
<table style="border-top:1px solid #d3d4de">
<tbody>
<tr>
<td style="width:55px; padding-top:13px"><a href="http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail" target="_blank"><img alt="" width="46" height="29" style="width: 46px; height: 29px; user-select: none;" src="https://ipmcdn.avast.com/images/icons/icon-envelope-tick-green-avg-v1.png"></a></td>
<td style="width:470px; padding-top:12px; color:#41424e; font-size:13px; font-family:Arial,Helvetica,sans-serif; line-height:18px">
Virus-free. <a href="http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail" target="_blank" style="color:#4453ea">
www.avg.com</a> </td>
</tr>
</tbody>
</table>
<a href="#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2" width="1" height="1"></a></div>
</div>
</div>
</div>
</div>
</body>
</html>